SCHEMBL11054501

SCHEMBL11054501

COc1ccc(N2CCN(c3ccccc3[S+](N)[O-])CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 1/20 0.48
DHFR P00374 1/20 0.47
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11054510 0.86 DHFR (0.51) MAPTRAB9AKMT2ADHFRALDH1A1
SCHEMBL11057555 0.84 ALDH1A1 (0.44) MAPTKMT2ADHFRALDH1A1SMN1; SMN2
SCHEMBL11057859 0.81 DRD2 (0.59) MAPTRAB9ATP53HSD17B10GAA
SCHEMBL11055227 0.81 MAPT (0.49) MAPTRAB9AKMT2ADHFRTP53
SCHEMBL11056861 0.78 NPSR1 (0.40) MAPTKMT2ADHFRHSD17B10LMNA
SCHEMBL8719223 0.78 ADRA2C (0.57) MAPTRAB9AKMT2ADHFRTP53
SCHEMBL11055378 0.76 ADRB1 (0.50) KMT2AALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL11055216 0.76 DRD4 (0.44) MAPTRAB9AKMT2ADHFRTP53
SCHEMBL11059926 0.75 DHFR (0.49) MAPTRAB9ADHFRGAAALDH1A1
SCHEMBL6153220 0.75 ALDH1A1 (0.66) MAPTRAB9AKMT2AGAAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4425342-A 1-(Substituted) piperazine-4-benzenesulfinamides, compositions and method of use HOECHST-ROUSSEL PHARMACEUTICALS (US) 1984-01-10 US claimed
US-4425342-A 1-(Substituted) piperazine-4-benzenesulfinamides, compositions and method of use HOECHST-ROUSSEL PHARMACEUTICALS (US) 1984-01-10 US disclosed
EP-0017079-A1 Benzenesulfinamides, a process for the preparation thereof and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-15 EP disclosed